Acceleration of a QM/MM-QMC simulation using GPU

Journal of Computational Chemistry

Volumn 32, Issue 10, 2011, Pages 2264-2272

  Uejima, Yutaka ^a   Terashima, Tomoharu ^a   Maezono, Ryo ^a  

^a JAPAN ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY   (Japan)

Author keywords

CUDA; electronic structure; FMO; GPGPU; MPI; QM MM; quantum Monte Carlo

Indexed keywords

CUDA; FMO; GPGPU; MPI; QM/MM; QUANTUM MONTE CARLO;

ELECTRONIC STRUCTURE; PROGRAM PROCESSORS;

CALCULATIONS;

EID: 79958229660     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21809     Document Type: Article

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